Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 58394-64-2 | |
|---|---|---|
| Name: | Benzyloctyl adipate | |
| Description: | ||
| Labels: | training | |
| CAS: | 58394-64-2 | |
| InChi Code: | InChI=1S/C21H32O4/c1-3-5-11-18(4-2)16-24-20(22)14-9-10-15-21(23)25-17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.038426055 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |